N-ethyl-2-(ethylsulfonylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

C16H18N6O3S — CID 68839850

IUPACN-ethyl-2-(ethylsulfonylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESCCNC(=O)c1cc(-c2cccnc2)cc2nc(NS(=O)(=O)CC)nn12
InChIInChI=1S/C16H18N6O3S/c1-3-18-15(23)13-8-12(11-6-5-7-17-10-11)9-14-19-16(20-22(13)14)21-26(24,25)4-2/h5-10H,3-4H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyNCOHLLJVILFIMN-UHFFFAOYSA-N
MW374.43 g/mol
LogP1.30
Rot. Bonds6

About N-ethyl-2-(ethylsulfonylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

N-ethyl-2-(ethylsulfonylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 68839850) has the molecular formula C16H18N6O3S and a molecular weight of 374.43 g/mol. Its IUPAC name is N-ethyl-2-(ethylsulfonylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(ethylsulfonylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
PubChem CID68839850
Molecular FormulaC16H18N6O3S
Molecular Weight374.43 g/mol
Exact Mass374.12
IUPAC NameN-ethyl-2-(ethylsulfonylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESCCNC(=O)c1cc(-c2cccnc2)cc2nc(NS(=O)(=O)CC)nn12
InChIInChI=1S/C16H18N6O3S/c1-3-18-15(23)13-8-12(11-6-5-7-17-10-11)9-14-19-16(20-22(13)14)21-26(24,25)4-2/h5-10H,3-4H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyNCOHLLJVILFIMN-UHFFFAOYSA-N
XLogP1.30
TPSA118.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(ethylsulfonylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N-ethyl-2-(ethylsulfonylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (CID 68839850) is N-ethyl-2-(ethylsulfonylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for N-ethyl-2-(ethylsulfonylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N-ethyl-2-(ethylsulfonylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is CCNC(=O)c1cc(-c2cccnc2)cc2nc(NS(=O)(=O)CC)nn12.
What is the InChIKey of N-ethyl-2-(ethylsulfonylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is NCOHLLJVILFIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3S/c1-3-18-15(23)13-8-12(11-6-5-7-17-10-11)9-14-19-16(20-22(13)14)21-26(24,25)4-2/h5-10H,3-4H2,1-2H3,(H,18,23)(H,20,21).
What are the key properties of N-ethyl-2-(ethylsulfonylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
N-ethyl-2-(ethylsulfonylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 374.43 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(ethylsulfonylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 68839850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).